methyl 2-[[2-(2-ethylphenyl)-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-(2-ethylphenyl)-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-(2-ethylphenyl)-4-(3-pyridyloxymethyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-(2-ethylphenyl)-4-(3-pyridinyloxymethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-ethylphenyl)-4-(pyridin-3-yloxymethyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(2-ethylphenyl)-4-(3-pyridyloxymethyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C27H30N2O4S/c1-4-20-8-5-6-10-22(20)24-16-19(18-33-21-9-7-14-28-17-21)11-12-23(24)26(30)29-25(13-15-34-3)27(31)32-2/h5-12,14,16-17,25H,4,13,15,18H2,1-3H3,(H,29,30)